UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: benzhydryl benzhydryl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.12 6.49 -16.6 3 9 0 123 509.613 9 ↓
Hi High (pH 8-9.5) 3.12 6.5 -49.63 2 9 -1 122 508.605 9 ↓
Lo Low (pH 4.5-6) 3.12 7.39 -52.99 4 9 1 125 510.621 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzhydryl benzhydryl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.12 6.29 -18.76 3 9 0 123 509.613 9 ↓
Hi High (pH 8-9.5) 3.12 6.31 -51.25 2 9 -1 122 508.605 9 ↓
Lo Low (pH 4.5-6) 3.12 7.23 -62.88 4 9 1 125 510.621 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzhydryl benzhydryl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.12 6.34 -15.15 3 9 0 123 509.613 9 ↓
Hi High (pH 8-9.5) 3.12 6.36 -53.9 2 9 -1 122 508.605 9 ↓
Lo Low (pH 4.5-6) 3.12 7.29 -57.72 4 9 1 125 510.621 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzhydryl benzhydryl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.12 6.44 -15.8 3 9 0 123 509.613 9 ↓
Hi High (pH 8-9.5) 3.12 6.45 -53.26 2 9 -1 122 508.605 9 ↓
Lo Low (pH 4.5-6) 3.12 7.32 -54.44 4 9 1 125 510.621 9 ↓

Parameters Provided:

ring.id = 197559
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 197559 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=197559&filter.purchasability=annotated

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